SCHEMBL660212

SCHEMBL660212

C=CCc1c(C)cc(C)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
SLC11A2 P49281 1/20 0.35
MAOB P27338 2/20 0.35
XDH P47989 1/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
APP P05067 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX5 P09917 2/20 0.33
PTGS1 P23219 2/20 0.33
ALDH2 P05091 1/20 0.33
MAPT P10636 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11219745 0.86 GAA (0.39) GAAKDM4EGLAMAOBXDH
SCHEMBL21002168 0.84 GAA (0.40) GAAKDM4EGLASLC11A2MAOB
SCHEMBL658062 0.81 GAA (0.38) GAAKDM4EGLAMAOBXDH
SCHEMBL8316943 0.79 GABRA1 (0.39) GAAKDM4EGLAXDHGABRA1
SCHEMBL5810793 0.78 KDM4E (0.39) GAAKDM4EGLAMAOBXDH
SCHEMBL9028205 0.78 MAOB (0.38) GAAKDM4EGLAMAOBXDH
SCHEMBL28938963 0.77 CYP3A4 (0.41) GAAKDM4EGLAMAOBXDH
SCHEMBL2649487 0.77 KDM4E (0.39) GAAKDM4EGLAMAOBAPP
SCHEMBL9029019 0.74 GAA (0.39) GAAKDM4EGLAMAOBXDH
SCHEMBL20088306 0.74 IMPDH2 (0.34) GAAKDM4EGLAMAOBXDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 GAA 4738/4885KDM4E 1953/4885GLA 4732/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 GAA 4738/4885KDM4E 1953/4885GLA 4732/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 GAA 4738/4885KDM4E 1953/4885GLA 4732/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 GAA 4790/4885KDM4E 1734/4885GLA 4680/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.